NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5652 8.3049 118.2028 55.2535 33.2479 176.6547 2 L 4.0298 7.9088 118.1298 55.0333 42.3685 176.5737 3 T 4.2538 8.3831 109.4193 61.1998 71.8064 174.9651 4 M 4.0218 8.6021 121.1244 58.8050 32.2524 178.2793 5 Q 3.9814 8.0708 119.1959 59.2858 29.2789 178.0794 6 E 3.8934 8.0772 119.2494 59.4064 29.5373 179.3579 7 I 3.7546 7.8077 119.6948 64.3804 37.1840 178.4222 8 K 3.9707 8.4637 119.4218 59.6066 31.9627 178.9871 9 A 4.0541 8.1064 120.7082 55.7593 18.0733 179.4026 10 H 4.2221 8.0713 113.2479 58.9607 28.8664 176.7945 11 Y 4.3323 7.9909 115.2644 56.9988 38.5608 175.3886 12 R 3.7691 7.8291 118.3385 56.9549 28.4281 176.3357 13 F 4.5908 8.7052 119.7213 57.4239 40.3438 174.8975 14 T 4.7344 8.3359 118.4615 59.3423 72.8563 174.2958 15 D 4.3727 8.5172 119.3671 57.4320 40.6161 178.6259 16 E 3.8375 7.7611 119.3711 59.3271 29.5291 178.6275 17 D 4.0306 7.6011 118.1207 57.0831 40.7107 178.4057 18 A 4.0518 7.4509 121.2108 55.2933 18.4033 179.5147 19 E 3.9244 8.4737 117.4264 59.5462 29.2659 179.6879 20 L 3.9753 7.7245 118.1714 57.6391 42.1008 179.0907 21 L 4.3965 8.2414 119.3471 57.8600 41.5938 179.7382 22 G 3.8363 8.5158 106.0528 47.9481 0.0000 175.8390 23 S 4.3164 8.1126 115.4382 60.6794 63.2726 175.6547 24 L 4.3587 7.8056 120.7768 54.9727 41.6292 178.1653 25 F 3.7127 8.1392 122.3722 60.8921 39.2714 175.0439 26 P 4.3579 0.0000 0.0000 65.6997 31.1576 178.5830 27 L 3.9094 7.8196 116.9964 57.6119 41.3692 179.2431 28 A 3.8247 7.3695 119.8066 54.9358 18.3186 179.0001 29 E 3.8283 8.0456 118.1715 59.6879 29.4807 179.0096 30 T 3.9142 7.8653 114.8236 66.2934 68.7406 175.2542 31 N 4.9132 8.0221 116.0955 52.9882 38.8194 177.0104 32 K 4.0314 7.8810 122.7768 60.2622 32.5435 179.0659 33 E 4.1643 8.0179 120.6366 58.4089 29.4011 179.2164 34 R 3.9393 7.9757 117.7072 59.1440 30.2437 178.5053 35 L 2.4750 7.7615 119.8093 57.7175 41.8191 178.8730 36 A 3.9877 7.9149 120.7437 55.2164 18.1938 179.4150 37 D 4.3202 8.4426 117.7302 57.6624 40.9461 179.0734 38 Q 4.0625 8.2755 118.7316 58.7935 28.8204 178.4581 39 F 4.0145 8.6084 122.0766 61.4922 39.4675 176.5278 40 Y 3.9595 8.4638 119.1109 60.9804 38.4441 177.7881 41 D 4.4857 8.4842 118.8825 57.3954 41.1064 177.7992 42 Y 4.0416 8.2545 120.2703 60.6854 38.8181 178.1742 43 L 3.9539 7.7569 119.4634 57.6218 41.4648 179.3386 44 L 4.1212 7.7617 117.8970 56.8223 41.5981 178.8229 45 G 3.8748 7.5034 103.7821 44.2657 0.0000 173.3734 46 I 4.3379 7.0092 122.8928 58.8575 38.9367 174.2742 47 P 4.1818 0.0000 0.0000 65.9633 30.9111 178.3615 48 E 3.9112 7.9919 115.4834 59.6078 29.7810 179.0496 49 T 4.0801 7.4615 108.9083 64.3271 69.1364 176.5189 50 A 3.9150 8.3391 124.1176 54.8362 18.3977 179.1255 51 E 3.7649 7.9430 116.9503 59.7471 29.3999 179.4802 52 F 4.1750 7.9809 114.5684 59.1221 39.0592 175.9725 53 L 4.6248 7.6798 120.1794 54.5952 42.3039 178.5743 54 K 3.9813 8.0895 120.2658 59.7264 31.9303 179.1465 55 E 4.0219 8.1336 118.3268 59.3558 29.3525 178.5762 56 D 4.5188 7.7958 117.7687 56.2375 41.0003 177.7258 57 L 3.9839 7.5908 120.6758 58.3622 42.0934 178.6118 58 V 3.8741 7.5766 115.8825 65.6430 31.9620 177.3200 59 L 4.0252 7.4782 116.9763 56.2247 42.6112 177.4676 60 Q 3.6111 8.2524 114.7835 57.4251 26.3610 173.4693 61 K 4.4958 7.9242 117.3727 57.5572 35.6469 179.4893 62 L 4.2018 8.8595 118.9528 57.3887 41.4204 179.3213 63 K 4.0932 8.2553 119.4102 59.7630 32.0472 178.4234 64 Q 4.0029 8.0614 119.1680 59.4327 29.0530 177.9838 65 T 3.8901 8.0619 116.7911 67.1888 68.5254 176.2922 66 H 4.3446 8.4345 117.8996 58.4094 28.1855 177.6085 67 Q 4.0082 8.3005 121.7184 59.3418 28.8753 178.1437 68 D 4.4517 8.4645 120.0641 57.0554 40.6367 178.4538 69 W 4.1470 7.9307 127.4837 60.3729 31.0885 177.3250 70 F 3.5390 8.4107 120.5410 61.2800 38.8386 177.2274 71 V 3.4100 7.8458 117.9511 65.9334 31.4087 178.0555 72 S 4.2356 7.9616 113.7734 61.1297 62.4624 176.3506 73 L 3.8201 7.0276 121.6110 56.7044 41.1611 177.7523 74 F 4.7309 7.7337 114.4553 57.2012 39.3257 176.1135 75 A 4.2177 7.8788 123.2581 52.4024 18.8741 178.6369 76 G 3.3753 7.4713 103.0641 45.1451 0.0000 172.5877 77 S 3.4348 7.8047 108.6217 59.5409 61.1581 174.4807 78 Y 3.8155 6.7848 117.0460 57.1609 37.1461 175.1598 79 D 4.9902 7.6386 123.0334 51.2319 42.7968 176.5262 80 N 4.3418 8.7004 114.3471 56.5364 38.4511 177.1076 81 R 3.8896 7.9649 120.1001 59.4849 30.1797 177.6835 82 Y 4.0531 8.2166 119.2146 60.7927 38.8463 177.9329 83 I 3.6603 7.7963 119.3149 64.3726 38.0687 177.5689 84 H 4.5762 8.1484 118.4823 58.3948 28.5078 177.2754 85 N 4.3069 8.2722 118.8583 56.6679 38.6767 176.9360 86 L 3.9234 7.7751 120.4384 57.7769 41.1360 179.4742 87 Q 3.9583 8.1914 118.1009 58.7261 28.6237 178.7540 88 K 3.9934 7.9512 120.6310 59.5088 31.8633 178.9016 89 I 3.7589 7.9588 120.2635 64.2534 37.0908 178.4828 90 G 3.7784 8.1931 108.1395 47.7299 0.0000 175.4919 91 H 4.1313 8.2177 118.6629 58.0655 28.6116 177.7461 92 A 3.9399 7.9888 122.9368 55.5216 18.2705 179.4262 93 H 4.1282 7.8465 113.4380 58.6093 28.8964 178.1189 94 V 3.2724 7.2722 119.6515 65.9721 31.0950 177.9404 95 R 3.8922 7.9135 117.2104 59.4786 30.0058 178.1221 96 V 4.0995 7.5157 108.7571 61.7148 31.8446 176.9893 97 G 4.0445 7.9267 107.0079 45.2566 0.0000 173.1324 98 L 4.0877 7.5759 121.6000 53.9400 42.6727 176.3985 99 N 4.5372 9.0153 124.6715 53.2372 39.8866 175.2598 100 A 3.3144 8.3330 126.7094 55.3084 18.1241 179.0763 101 H 3.7817 8.3899 116.8049 60.0398 29.6552 176.8017 102 Y 3.9887 7.6663 117.6764 60.2292 37.6458 178.3440 103 V 3.4614 7.5414 119.7994 65.9968 31.7862 177.6667 104 N 4.2538 7.9328 115.7350 56.2460 38.2598 177.3069 105 V 3.4942 7.7693 119.3070 66.0657 31.7455 177.9936 106 A 3.7141 8.2444 120.8211 55.2548 18.1724 179.2632 107 M 4.1607 8.1241 116.7651 58.4360 32.2075 177.9862 108 N 4.3244 8.0643 117.3086 56.4467 39.1147 176.9031 109 V 3.3931 7.2341 119.7759 66.0519 31.4951 178.1905 110 V 3.7440 7.8455 117.6950 65.9929 31.4102 177.9248 111 R 4.0139 8.2704 118.4602 59.6976 29.9716 178.5976 112 Q 4.0770 8.4281 118.0112 58.7857 28.6869 178.4677 113 F 4.0666 8.3491 121.7131 61.7741 39.4842 177.4478 114 T 4.1858 8.5862 115.6065 66.6553 68.1996 176.9066 115 L 4.1501 8.2993 120.9876 57.6405 41.5946 179.6954 116 S 4.0998 8.0983 115.5037 61.4556 62.4927 176.5055 117 I 3.6138 7.3043 121.6169 64.4515 37.0202 178.2502 118 I 4.1500 7.8290 120.4627 64.5567 36.7747 178.1943 119 Q 4.0346 8.1563 119.3008 59.3992 28.9888 177.7420 120 D 4.5535 8.1475 117.5775 55.6883 41.1175 176.5589 121 N 4.6902 7.8775 114.2736 52.5860 40.3479 174.8139 122 F 4.6877 7.7160 116.2571 54.4570 39.7477 172.5219 123 P 4.3458 0.0000 0.0000 64.9608 31.8898 177.8972 124 D 4.4755 8.0749 119.3160 53.2236 42.1122 174.5469 125 P 4.2433 0.0000 0.0000 65.9218 31.4535 178.3123 126 E 4.0685 8.2314 116.3720 58.6794 29.6641 178.7254 127 E 3.8973 8.4389 118.9419 59.3240 29.4882 179.3021 128 R 3.7846 8.2451 118.9105 59.3299 30.1400 178.4592 129 R 3.8559 8.1948 118.7073 59.6426 30.1173 178.5084 130 Q 3.9567 8.1229 117.7743 59.0251 28.6951 179.0893 131 R 3.7982 7.8387 119.1356 59.0120 29.9752 179.0331 132 R 3.8964 8.2756 118.9563 59.5337 30.0925 178.4150 133 E 3.9555 8.5955 118.5730 59.2790 29.4297 179.2752 134 A 3.9739 7.8991 120.7812 55.1233 18.3934 179.9012 135 V 3.4904 7.8562 116.7558 66.2074 31.5898 178.0700 136 E 3.9881 8.5720 118.7353 59.2361 29.1740 179.5485 137 K 3.9103 8.0731 118.5285 59.5649 32.1520 179.2748 138 I 3.3996 7.7440 118.8097 63.8179 37.7507 177.9245 139 L 4.0470 8.0804 120.0540 58.0205 41.4609 179.2539 140 D 4.3505 8.2349 118.8833 57.2687 40.7083 178.9282 141 I 3.3174 7.6521 120.7019 64.1837 37.0615 178.0824 142 N 4.3511 8.2592 117.4041 56.4631 38.3932 177.2523 143 L 3.9765 8.1883 121.7461 57.9225 42.1375 178.4571 144 D 4.3405 8.2907 118.1516 57.5845 41.0536 178.4176 145 I 3.7841 7.6342 118.7832 64.6070 37.3659 178.0624 146 M 4.2116 8.1691 119.5792 58.5007 31.8519 179.0059 147 S 4.1675 8.4665 115.3662 61.5896 63.0276 176.6310 148 A 4.1271 8.2414 123.2475 55.0863 17.8398 179.8219 149 S 3.9945 7.8909 113.5420 61.7537 62.5580 176.1488 150 Y 3.8908 8.0096 117.8425 59.9770 37.7122 177.2348 151 R 4.4973 7.8213 117.4817 56.4290 31.0994 176.0851 152 E 4.2967 7.6939 122.1629 56.4193 30.3566 175.3611 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.57 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 L 7.91 4.03 0.00 1.77 1.79 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.38 4.25 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 4 M 8.60 4.02 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.78 0.00 5 Q 8.07 3.98 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 6 E 8.08 3.89 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 7 I 7.81 3.75 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.10 1.06 0.00 0.00 8 K 8.46 3.97 0.00 2.06 2.18 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.54 7.81 9 A 8.11 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.07 4.22 0.00 3.19 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.99 4.33 0.00 3.06 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.83 3.77 0.00 1.98 2.00 0.00 3.17 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 13 F 8.71 4.59 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.34 4.73 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 15 D 8.52 4.37 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.76 3.84 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 17 D 7.60 4.03 0.00 1.58 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.45 4.05 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.47 3.92 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 20 L 7.72 3.98 0.00 1.67 1.64 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.24 4.40 0.00 1.94 1.81 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.52 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.11 4.32 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.81 4.36 0.00 2.04 1.57 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.14 3.71 0.00 3.34 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.36 0.00 2.23 2.15 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 27 L 7.82 3.91 0.00 1.76 1.66 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.37 3.82 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.05 3.83 0.00 1.56 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.62 0.00 30 T 7.87 3.91 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 N 8.02 4.91 0.00 3.14 3.18 0.00 0.00 6.75 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.88 4.03 0.00 2.06 2.32 0.00 1.35 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.51 7.81 33 E 8.02 4.16 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 34 R 7.98 3.94 0.00 2.17 2.30 0.00 3.20 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 35 L 7.76 2.47 0.00 0.37 1.05 0.27 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.91 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.44 4.32 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.28 4.06 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 39 F 8.61 4.01 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.46 3.96 0.00 3.43 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.48 4.49 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.25 4.04 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.76 3.95 0.00 1.59 1.45 0.46 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.76 4.12 0.00 1.79 1.71 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.50 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.01 4.34 1.78 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.94 0.00 0.00 47 P 0.00 4.18 0.00 2.12 2.09 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 48 E 7.99 3.91 0.00 1.60 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 49 T 7.46 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 50 A 8.34 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.94 3.76 0.00 1.86 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 52 F 7.98 4.18 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.68 4.62 0.00 1.74 1.57 0.20 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.09 3.98 0.00 1.77 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.57 7.81 55 E 8.13 4.02 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 56 D 7.80 4.52 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.59 3.98 0.00 1.76 1.81 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.58 3.87 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 59 L 7.48 4.03 0.00 1.67 1.76 0.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.25 3.61 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 61 K 7.92 4.50 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.44 7.81 62 L 8.86 4.20 0.00 2.14 1.98 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.26 4.09 0.00 1.27 1.65 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.46 1.45 7.81 64 Q 8.06 4.00 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 65 T 8.06 3.89 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 66 H 8.43 4.34 0.00 3.24 2.94 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.30 4.01 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 68 D 8.46 4.45 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 W 7.93 4.15 0.00 3.26 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.41 3.54 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.85 3.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 72 S 7.96 4.24 0.00 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.03 3.82 0.00 0.40 0.79 0.23 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.73 4.73 0.00 3.02 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.88 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.47 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.80 3.43 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 6.78 3.82 0.00 2.87 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.64 4.99 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.70 4.34 0.00 2.73 2.79 0.00 0.00 6.50 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.96 3.89 0.00 1.89 2.16 0.00 3.20 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 82 Y 8.22 4.05 0.00 3.32 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.80 3.66 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.20 0.95 0.00 0.00 84 H 8.15 4.58 0.00 3.37 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.27 4.31 0.00 2.93 2.83 0.00 0.00 7.24 5.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.78 3.92 0.00 1.80 1.63 0.71 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.19 3.96 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 88 K 7.95 3.99 0.00 1.85 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 I 7.96 3.76 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.83 0.00 0.00 90 G 8.19 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.22 4.13 0.00 3.27 3.28 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.99 3.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 7.85 4.13 0.00 3.43 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.27 3.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.13 0.00 0.00 95 R 7.91 3.89 0.00 1.83 2.19 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 96 V 7.52 4.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 97 G 7.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.58 4.09 0.00 1.02 1.67 0.45 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 N 9.02 4.54 0.00 2.95 2.86 0.00 0.00 7.07 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.33 3.31 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.39 3.78 0.00 2.96 3.05 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.67 3.99 0.00 3.12 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.54 3.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.84 0.00 0.00 104 N 7.93 4.25 0.00 2.82 2.79 0.00 0.00 6.71 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.77 3.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.68 0.00 0.00 106 A 8.24 3.71 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 8.12 4.16 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 108 N 8.06 4.32 0.00 2.83 2.90 0.00 0.00 6.71 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.23 3.39 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.27 0.00 0.00 110 V 7.85 3.74 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 1.32 0.00 0.00 111 R 8.27 4.01 0.00 2.20 2.15 0.00 3.20 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 112 Q 8.43 4.08 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 113 F 8.35 4.07 0.00 3.28 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.59 4.19 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 115 L 8.30 4.15 0.00 1.75 1.75 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.10 4.10 0.00 3.97 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.30 3.61 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.18 0.93 0.00 0.00 118 I 7.83 4.15 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.93 0.00 0.00 119 Q 8.16 4.03 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 120 D 8.15 4.55 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.88 4.69 0.00 2.52 2.17 0.00 0.00 6.73 8.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.72 4.69 0.00 3.14 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.35 0.00 2.18 2.18 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 124 D 8.07 4.48 0.00 2.86 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.24 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 126 E 8.23 4.07 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 127 E 8.44 3.90 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 128 R 8.25 3.78 0.00 2.20 2.11 0.00 3.15 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 129 R 8.19 3.86 0.00 2.02 1.89 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 130 Q 8.12 3.96 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 131 R 7.84 3.80 0.00 1.61 1.72 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 132 R 8.28 3.90 0.00 1.94 2.04 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 133 E 8.60 3.96 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 134 A 7.90 3.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.86 3.49 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.05 0.00 0.00 136 E 8.57 3.99 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 137 K 8.07 3.91 0.00 2.13 2.02 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.68 7.81 138 I 7.74 3.40 1.66 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.26 0.70 0.00 0.00 139 L 8.08 4.05 0.00 1.76 1.79 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.23 4.35 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.65 3.32 1.68 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.22 0.79 0.00 0.00 142 N 8.26 4.35 0.00 3.13 3.10 0.00 0.00 6.70 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.19 3.98 0.00 1.77 1.83 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.29 4.34 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.63 3.78 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.90 0.00 0.00 146 M 8.17 4.21 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.52 0.00 147 S 8.47 4.17 0.00 4.05 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.24 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.89 3.99 0.00 3.86 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 8.01 3.89 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.82 4.50 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 152 E 7.69 4.30 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00